Structure Information
Structure

Compound Identification

SMILES

CCOCCCN1C(=O)C2=C(C=CC(Br)=C2)N=C1SCC(=O)N1C[C@H](C)O[C@@H](C)C1

InChIKey

InChIKey=JFEZAGNGAFVLJH-GJZGRUSLSA-N

Formula

C21H28BrN3O4S

Mass

498.44

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazanaphthalenes

Subclass

Benzodiazines

Intermediate Tree Nodes

Not available

Direct Parent

Quinazolines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Quinazoline - Aryl thioether - Pyrimidone - Alkylarylthioether - Aryl bromide - Aryl halide - Morpholine - Oxazinane - Pyrimidine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Amino acid or derivatives - Tertiary amine - Oxacycle - Thioether - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Sulfenyl compound - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.

External Descriptors

Not available

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